COC(=O)COc1ccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)cc1
SMILES: COC(=O)COc1ccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)cc1

Molecular Processing

Molecular formula
C21H15ClF4N2O6
Molecular weight
502.8
Exact mass
502.0555
XLogP
3.69
TPSA
88.76
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
111.28

Supplementary Information

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